Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=C(C)C=CC(C)=C2)C(=O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=BWIXUOOKGDBLPJ-UHFFFAOYSA-N
Formula
C25H21FN2O5S
Mass
480.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
p-Xylenes 2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Fluorobenzenes Aryl fluorides Pyrrolidine-2-ones Pyrrolidine-3-ones Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Vinylogous acids Lactams Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - P-xylene - Xylene - Thiazolecarboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Azole - Thiazole - Methyl ester - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Cyclic ketone - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available